5-(2-bromophenyl)-2-cyclohexyl-4-hydroxy-1H-pyrimidin-6-one

C16H17BrN2O2 — CID 79434090

IUPAC5-(2-bromophenyl)-2-cyclohexyl-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCCC2)nc(O)c1-c1ccccc1Br
InChIInChI=1S/C16H17BrN2O2/c17-12-9-5-4-8-11(12)13-15(20)18-14(19-16(13)21)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,18,19,20,21)
InChIKeyVPAFPBLJYJHFIE-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.95
Rot. Bonds2

About 5-(2-bromophenyl)-2-cyclohexyl-4-hydroxy-1H-pyrimidin-6-one

5-(2-bromophenyl)-2-cyclohexyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79434090) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-cyclohexyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-cyclohexyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79434090
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name5-(2-bromophenyl)-2-cyclohexyl-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCCCC2)nc(O)c1-c1ccccc1Br
InChIInChI=1S/C16H17BrN2O2/c17-12-9-5-4-8-11(12)13-15(20)18-14(19-16(13)21)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,18,19,20,21)
InChIKeyVPAFPBLJYJHFIE-UHFFFAOYSA-N
XLogP3.95
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-cyclohexyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-bromophenyl)-2-cyclohexyl-4-hydroxy-1H-pyrimidin-6-one (CID 79434090) is 5-(2-bromophenyl)-2-cyclohexyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-bromophenyl)-2-cyclohexyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-bromophenyl)-2-cyclohexyl-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(C2CCCCC2)nc(O)c1-c1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)-2-cyclohexyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is VPAFPBLJYJHFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-12-9-5-4-8-11(12)13-15(20)18-14(19-16(13)21)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,18,19,20,21).
What are the key properties of 5-(2-bromophenyl)-2-cyclohexyl-4-hydroxy-1H-pyrimidin-6-one?
5-(2-bromophenyl)-2-cyclohexyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 349.23 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-2-cyclohexyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79434090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).